SCHEMBL28622212

SCHEMBL28622212

CC(=O)/C=C/c1nnn(-c2ccc(C)cc2)c1CCCCl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 4/20 0.34
PTGS2 P35354 3/20 0.34
TP53 P04637 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
HSD11B1 P28845 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 2/20 0.34
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28641565 0.90 PARP1 (0.34) PTGS2RAB9ASLC5A1SLC5A2CA1
SCHEMBL28922708 0.74 HPGD (0.40) NPSR1L3MBTL1MEN1KMT2AHTT
SCHEMBL28624635 0.73 MEN1 (0.36) MEN1KMT2AHTTRAB9APOLB
SCHEMBL28636244 0.72 HCAR3 (0.33) HTT
SCHEMBL28641717 0.72
SCHEMBL28633071 0.72 ATM (0.35) ALDH1A1
SCHEMBL28636950 0.71 GLA (0.42) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL28636949 0.71 GLA (0.42) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL28633072 0.71 LMNA (0.33) LMNAALDH1A1NPSR1L3MBTL1MEN1
SCHEMBL28628722 0.70 MEN1 (0.35) LMNAALDH1A1NPSR1L3MBTL1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232448-B (E) -chloropropylketene/olefine aldehyde triazole compound and synthesis method thereof 陕西师范大学 2021-09-21 CN disclosed